Preussomerin I
TL;DR: Preussomerin I (CAS 158204-29-6) is a chemical compound with molecular formula C21H14O8 and molecular weight 394.06888 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(13R)-7-hydroxy-13-methoxy-3,11,21,22-tetraoxaheptacyclo[10.9.1.11,6.112,16.02,4.010,24.020,23]tetracosa-6,8,10(24),16(23),17,19-hexaene-5,15-dione
Also Known As: Preussomerin I, 3'-O-DEMETHYLPREUSSOMERIN I, (13R)-7-hydroxy-13-methoxy-3,11,21,22-tetraoxaheptacyclo[10.9.1.11,6.112,16.02,4.010,24.020,23]tetracosa-6,8,10(24),16(23),17,19-hexaene-5,15-dione, (1S,2R,4S,12S,13R)-7-Hydroxy-13-methoxy-3,11,21,22-tetraoxaheptacyclo[10.9.1.11,6.112,16.02,4.010,24.020,23]tetracosa-6,8,10(24),16(23),17,19-hexaene-5,15-dione, (3R)-7-hydroxy-3-methoxy-2,3,8a,9a-tetrahydro-1H,8H-3a,9b-epoxynaphtho[1,8-bc]oxireno[2,3]naphtho[1,8-fg][1,5]dioxocine-1,8-dione
Technical Specifications
| Molecular Formula | C21H14O8 |
| Molecular Weight | 394.06888 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 394.06888 Da |
| Heavy Atoms | 29 |
| Complexity | 800.0 |
| SMILES | CO[C@@H]1CC(=O)C2=C3C14OC5=C6C(=C(C=C5)O)C(=O)C7C(C6(O4)OC3=CC=C2)O7 |
| InChIKey | NVGIJVUQQFDOAD-IBDSJRNGSA-N |
Chemical Property Profile of Preussomerin I
Property Insights of Preussomerin I
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Preussomerin I. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Preussomerin I. Following Lipinski's Rule of Five, Preussomerin I has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Preussomerin I?
The CAS number of Preussomerin I is 158204-29-6.
What is the molecular formula of Preussomerin I?
The molecular formula of Preussomerin I is C21H14O8.
What is the molecular weight of Preussomerin I?
The molecular weight of Preussomerin I is 394.06888 g/mol.
Where can I buy Preussomerin I?
You can request a quote for Preussomerin I directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Preussomerin I?
Yes, CoreyChem provides custom synthesis services for Preussomerin I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.